SCHEMBL2779378

SCHEMBL2779378

NC(=O)C1OCC[C]1C(=O)NCc1ccc(Nc2ccccc2C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
MT-CO2 P00403 1/20 0.38
TP53 P04637 1/20 0.38
PTGES O14684 1/20 0.37
CNR2 P34972 3/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MYC P01106 1/20 0.37
MAX P61244 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
EPHX1 P07099 1/20 0.36
SCD O00767 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2809260 0.86 PTGES (0.40) HTTMAPTHPGDTP53PTGES
SCHEMBL2805677 0.77 SCN9A (0.44) LMNAHTTMAPTALDH1A1HPGD
SCHEMBL2805095 0.77 CNR2 (0.36) CNR2
SCHEMBL2781755 0.73 POLB (0.40) HTTMAPTALDH1A1HPGDNPSR1
SCHEMBL2805090 0.73 ALDH1A1 (0.43) LMNAHTTMAPTALDH1A1HPGD
SCHEMBL12473674 0.73 CNR2 (0.38) MAPTTP53CNR2POLBRAB9A
SCHEMBL184945 0.73 MT-CO2 (0.43) HTTMAPTALDH1A1HPGDNPSR1
SCHEMBL186501 0.72 ALDH1A1 (0.40) LMNAHTTMAPTALDH1A1HPGD
SCHEMBL2805680 0.72 ALDH1A1 (0.40) LMNAHTTMAPTALDH1A1HPGD
SCHEMBL13159669 0.72 EPHX2 (0.42) HTTMAPTALDH1A1HPGDPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 LMNA 2613/4885HTT 3537/4885MAPT 4326/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 LMNA 2613/4885HTT 3537/4885MAPT 4326/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.